General Information of the Compound
| Compound ID |
CP0486985
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| Compound Name |
3,3-diphenyl-N-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]prop-2-en-1-amine
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| Structure |
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| Formula |
C25H33N5
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| Molecular Weight |
403.574
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| Canonical SMILES |
CC(C)(C)CC(C)(C)n1nnnc1CNCC=C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H33N5/c1-24(2,3)19-25(4,5)30-23(27-28-29-30)18-26-17-16-22(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,26H,17-19H2,1-5H3
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| InChIKey |
BWHBRECZDCGSBL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3